1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine

C14H21N3O2S — CID 122095638

IUPAC1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCc1ccc(CNC2=NCCCN2C)cc1S(C)(=O)=O
InChIInChI=1S/C14H21N3O2S/c1-11-5-6-12(9-13(11)20(3,18)19)10-16-14-15-7-4-8-17(14)2/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16)
InChIKeyICRSRXDKEWDTFM-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.18
Rot. Bonds3

About 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122095638) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122095638
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCc1ccc(CNC2=NCCCN2C)cc1S(C)(=O)=O
InChIInChI=1S/C14H21N3O2S/c1-11-5-6-12(9-13(11)20(3,18)19)10-16-14-15-7-4-8-17(14)2/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16)
InChIKeyICRSRXDKEWDTFM-UHFFFAOYSA-N
XLogP1.18
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine (CID 122095638) is 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine is Cc1ccc(CNC2=NCCCN2C)cc1S(C)(=O)=O.
What is the InChIKey of 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is ICRSRXDKEWDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11-5-6-12(9-13(11)20(3,18)19)10-16-14-15-7-4-8-17(14)2/h5-6,9H,4,7-8,10H2,1-3H3,(H,15,16).
What are the key properties of 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 295.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122095638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).